CID 6474633

Nsc657360

Structural Information

Molecular Formula
C28H24N4O5
SMILES
CC1=N/C(=C/C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H24N4O5/c1-17-29-22(14-18-15-23(35-2)25(37-4)24(16-18)36-3)28(34)31(17)32-26(19-10-6-5-7-11-19)30-21-13-9-8-12-20(21)27(32)33/h5-16H,1-4H3/b22-14+
InChIKey
HOQCCCTWTQVFAP-HYARGMPZSA-N
Compound name
3-[(4E)-2-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.17468 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18196 225.0
[M+Na]+ 519.16390 235.2
[M-H]- 495.16740 234.7
[M+NH4]+ 514.20850 228.7
[M+K]+ 535.13784 228.0
[M+H-H2O]+ 479.17194 211.1
[M+HCOO]- 541.17288 241.0
[M+CH3COO]- 555.18853 232.7
[M+Na-2H]- 517.14935 222.4
[M]+ 496.17413 231.0
[M]- 496.17523 231.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.